General Information of the Compound
| Compound ID |
CP0119676
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| Compound Name |
3-[[[(1R)-1-(3-chlorophenyl)ethyl]-(quinoline-3-carbonyl)amino]methyl]benzoic acid
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| Structure |
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| Formula |
C26H21ClN2O3
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| Molecular Weight |
444.918
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| Canonical SMILES |
C[C@@H](N(Cc1cccc(c1)C(O)=O)C(=O)c1cnc2ccccc2c1)c1cccc(Cl)c1
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| InChI |
InChI=1S/C26H21ClN2O3/c1-17(19-8-5-10-23(27)14-19)29(16-18-6-4-9-21(12-18)26(31)32)25(30)22-13-20-7-2-3-11-24(20)28-15-22/h2-15,17H,16H2,1H3,(H,31,32)/t17-/m1/s1
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| InChIKey |
JRPBUWRZMBYEIQ-QGZVFWFLSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound